Influence of Lennard–Jones Parameters in the Temperature Dependence of Real Gases Diffusion through Nanochannels

Umbrella Sampling Molecular Dynamics has been used to determine transition energies for different guest molecules through hydroquinone [Formula: see text]-clathrate nanochannels, as well as their temperature trend. This clathrate has been shown to successfully enclathrate different types of small ga...

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Detalles Bibliográficos
Autores principales: Rodríguez García, Brais, Piñeiro, Manuel M., Pérez-Rodríguez, Martín
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180561/
https://www.ncbi.nlm.nih.gov/pubmed/37177079
http://dx.doi.org/10.3390/nano13091534

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180561/
https://www.ncbi.nlm.nih.gov/pubmed/37177079
http://dx.doi.org/10.3390/nano13091534

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